UCSF

ZINC19276279

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 14 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 2.26 -42.55 3 4 1 55 195.242 4
Hi High (pH 8-9.5) 1.28 0.79 -9.09 2 4 0 50 194.234 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )